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SMILES: C[C@H](CO)n1cnc2cc(cc(-c3cncnc3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1

InChI Key: InChIKey=PRTQTTBBMUXAQF-CYBMUJFWSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 477716   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Tyrosine-protein kinase ABL1 [64-515]


(Homo sapiens (Human))		BDBM477716
PNG
(US10889571, Example 60)
Show SMILES C[C@H](CO)n1cnc2cc(cc(-c3cncnc3)c12)C(=O)Nc1ccc(OC(F)(F)Cl)cc1 |r|
Show InChI InChI=1S/C22H18ClF2N5O3/c1-13(10-31)30-12-28-19-7-14(6-18(20(19)30)15-8-26-11-27-9-15)21(32)29-16-2-4-17(5-3-16)33-22(23,24)25/h2-9,11-13,31H,10H2,1H3,(H,29,32)/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 0.360n/an/an/an/an/an/a



Terns, Inc.

US Patent


Assay Description
ABL1 WT protein (64-515aa) containing an N-terminal His tag was produced by co-expression with YopH in Sf9 insect cells. Cells were harvested by cent...

US Patent US10889571 (2021)


BindingDB Entry DOI: 10.7270/Q27S7RW4
More data for this
Ligand-Target Pair